CID 71587951

Phloridzinyl glucoside

Structural Information

Molecular Formula
C27H34O15
SMILES
C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O
InChI
InChI=1S/C27H34O15/c28-9-17-20(33)22(35)24(37)26(41-17)39-10-18-21(34)23(36)25(38)27(42-18)40-16-8-13(30)7-15(32)19(16)14(31)6-3-11-1-4-12(29)5-2-11/h1-2,4-5,7-8,17-18,20-30,32-38H,3,6,9-10H2/t17-,18-,20-,21-,22+,23+,24-,25-,26+,27-/m1/s1
InChIKey
ASKCMMHSAOJPRX-BYJQLNSESA-N
Compound name
1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

598.18976 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.19704 233.2
[M+Na]+ 621.17898 234.1
[M+NH4]+ 616.22358 233.3
[M+K]+ 637.15292 237.9
[M-H]- 597.18248 226.5
[M+Na-2H]- 619.16443 251.7
[M]+ 598.18921 231.3
[M]- 598.19031 231.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.